Specific staining and precise killing of cancer cells through fusion of pharmaceutical chemistry and π-bridge effect design philosophy

The development of an advanced phototheranostic platform that combines imaging and therapy in a single agent is an appealing yet challenging task. In this study, we successfully constructed three novel fluorescent probes by leveraging pharmaceutical chemistry and the design philosophy of the π-bridge effect. Through a systematic comparative analysis of their fluorescence properties, water solubility, molecular conformation, and electrostatic potential, we revealed the fundamental principles governing the optical behavior and biological selectivity of these probes. Notably, the probe TPhIQ-CNTh demonstrated extended fluorescence in the near-infrared region, a significant aggregation-induced emission (AIE) effect, and the ability to distinguish tumor cells from normal cells. Moreover, it efficiently generated reactive oxygen species (ROS) and specifically labeled lipid droplets, enabling the precise staining and killing of cancer cells. This study presents a practical strategy for designing precise tumor treatments that integrate efficient imaging-guided photodynamic therapy (PDT) by harnessing the unique properties of AIE materials.